- 09 Oct, 2020 1 commit
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Daniel Wortmann authored
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- 22 Sep, 2020 1 commit
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Daniel Wortmann authored
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- 14 Sep, 2020 1 commit
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Robin Hilgers authored
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- 27 Aug, 2020 1 commit
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Henning Janssen authored
-also introduced constants for BZ integration method to remove unclear numbers
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- 30 Jun, 2020 2 commits
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Robin Hilgers authored
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Robin Hilgers authored
Changed some naming and removed two mixing variables for the relax case. Instead of those one can now decide which angles should be relaxed independently. Thanks to @mhoff for discussing with me.
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- 25 Jun, 2020 2 commits
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Robin Hilgers authored
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Robin Hilgers authored
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- 18 Jun, 2020 1 commit
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Daniel Wortmann authored
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- 14 Apr, 2020 1 commit
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Gregor Michalicek authored
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- 31 Jan, 2020 1 commit
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Henning Janssen authored
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- 30 Jan, 2020 1 commit
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Henning Janssen authored
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- 27 Jan, 2020 2 commits
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Vasily Tseplyaev authored
This reverts commit f5fe58e8.
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Vasily Tseplyaev authored
The error message also prints out labels of overlapped atoms (one of the labels) and the overlapping value. The error message makes AiiDA-FLEUR to conviniently parse this info and automatically adjust MT radii for another try of relaxation.
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- 22 Jan, 2020 1 commit
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Henning Janssen authored
replaced with input%bz_integration
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- 27 Sep, 2019 1 commit
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Robin Hilgers authored
score is now only in plotdop.f90 and plot.f90=> TO BE RENAMED SOON. Next step: Make Testfiles free of score and plplot.
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- 31 Jul, 2019 1 commit
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Daniel Wortmann authored
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- 17 Jun, 2019 1 commit
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Daniel Wortmann authored
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- 08 Nov, 2018 1 commit
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Gregor Michalicek authored
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- 03 Apr, 2018 1 commit
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Daniel Wortmann authored
Removed jij data-type, added first implementation of further force-theorem modes, these lack tests&support in xml-shema
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- 07 Oct, 2016 1 commit
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Daniel Wortmann authored
Removed preprocessor switches CPP_SOC, CPP_INVERSION, CPP_APW, CPP_CORE. Only a single fleur executable is built.
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- 27 Jul, 2016 1 commit
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Gregor Michalicek authored
Note: This is not yet functional. Also the test Fe_bct_LOXML is not yet complete.
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